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Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate
TL;DR: Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate (CAS 477490-48-5) is a chemical compound with molecular formula C26H18N2O3S and molecular weight 438.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-phenylquinoline-4-carbonyl)amino]-1-benzothiophene-2-carboxylate
Also Known As: METHYL 3-(2-PHENYLQUINOLINE-4-AMIDO)-1-BENZOTHIOPHENE-2-CARBOXYLATE, F0806-0066, methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate, methyl 3-[(2-phenylquinoline-4-carbonyl)amino]-1-benzothiophene-2-carboxylate, Methyl 3-[(2-phenylquinoline-4-carbonyl)amino]benzothiophene-2-carboxylate
| Molecular Formula | C26H18N2O3S |
|---|---|
| Molecular Weight | 438.10 g/mol |
| LogP | 6.1554 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.10382 |
| Heavy Atoms | 32 |
| Complexity | 1475.0289 |
Chemical Identifiers
| CAS Number | 477490-48-5 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5 |
Product Overview
Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate (CAS 477490-48-5), with molecular formula C26H18N2O3S and molecular weight 438.10 g/mol. IUPAC: methyl 3-[(2-phenylquinoline-4-carbonyl)amino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate
Property Insights of Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate
The XLogP value of 6.1554 indicates that Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate?
The CAS number of Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate is 477490-48-5.
What is the molecular formula of Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate?
The molecular formula of Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate is C26H18N2O3S.
What is the molecular weight of Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate?
The molecular weight of Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate is 438.10 g/mol.
Where can I buy Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate?
You can request a quote for Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-phenylquinoline-4-carboxamido)benzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.